UCSF

ZINC01805359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 14.24 -11.73 0 4 0 43 381.277 3
Mid Mid (pH 6-8) 4.82 15.15 -46.23 2 4 1 47 382.285 3
Mid Mid (pH 6-8) 4.82 14.56 -37.89 1 4 1 45 382.285 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )